4-N,4-N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine

C11H18F3N7 — CID 80807543

IUPAC4-N,4-N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H18F3N7/c1-19(2)9-16-8(15)17-10(18-9)21-5-3-20(4-6-21)7-11(12,13)14/h3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyQHNNOVDWVRGDFQ-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.20
Rot. Bonds3

About 4-N,4-N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine

4-N,4-N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 80807543) has the molecular formula C11H18F3N7 and a molecular weight of 305.31 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine
PubChem CID80807543
Molecular FormulaC11H18F3N7
Molecular Weight305.31 g/mol
Exact Mass305.16
IUPAC Name4-N,4-N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H18F3N7/c1-19(2)9-16-8(15)17-10(18-9)21-5-3-20(4-6-21)7-11(12,13)14/h3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyQHNNOVDWVRGDFQ-UHFFFAOYSA-N
XLogP0.20
TPSA74.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N,4-N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

1,3,5-Triazin-2-amine, 4-(4-methyl-1-piperazinyl)-6-(trifluoromethyl)-
CID 3041955
1,3,5-Triazin-2-amine, N,N-dimethyl-4-(4-methyl-1-piperazinyl)-6-(trifluoromethyl)-
CID 3041964
2,4-Difluoro-6-piperazin-1-yl-1,3,5-triazine
CID 57018382
N,N,N',N'-tetramethyl-6-(1-piperazinyl)-1,3,5-triazine-2,4-diamine
CID 33741884
N,N,N',N'-tetramethyl-6-(4-methyl-1-piperzinyl)-1,3,5-triazine-2,4-diamine
CID 129659101
2,4-Dichloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine
CID 55141169
2-Chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine
CID 62970401
4-chloro-N,N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 62970573
2-N,4-N-dimethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80774468
2-N,2-N,6-N-triethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 80775730
2-N,2-N,6-N-triethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 80777726
2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 80777813

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine (CID 80807543) is 4-N,4-N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(N2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 4-N,4-N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is QHNNOVDWVRGDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N7/c1-19(2)9-16-8(15)17-10(18-9)21-5-3-20(4-6-21)7-11(12,13)14/h3-7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N,4-N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine?
4-N,4-N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 305.31 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80807543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).